Grundinformationen
- Standard-SMILES
CC[N+](CC)(CC)Cc1ccccc1.[Cl-]- InChIKey
HTZCNXWZYVXIMZ-UHFFFAOYSA-M- Summenformel
- C13H22N.Cl
- Durchschnittliche Molmasse
- 227,77 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Benzyl triethylammonium chloride
- IUPAC
- benzyl(triethyl)azanium chloride
- Lokaler Name
- Benzyltriethylammoniumchlorid
- Englischer Name
- Benzyltriethylammonium chloride
- Summenformel
- C13H22ClN
- Molmasse
- 227.77
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
207124-62-7、56-37-1- PubChem CID
- 66133
- DTXSID
DTXSID9021710- UNII
- 46WDQ3ADML
- EC Number
- 200-270-1、621-124-7
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 135
Experimentelle und physikochemische Eigenschaften
Physical Description
Dry Powder; Liquid
White crystals; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 190 · 190-192 °C (dec.) (lit.)
- Siedepunkt
- 366.11 °C · 366.11°C (rough estimate)
- Dichte
- 1.08 g/mL · 1.08 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D 1.479
- Flammpunkt
- 100 °C · >100°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 O: · H2O: 0.1 g/mL, clear
- Aggregatzustand
- Liquid
- Farbe
- White to beige
- PH
- 6 · 6-8 (100g/l, H2O, 20℃)
- Wasserlöslichkeit
- 700 g/L · 700 g/L (20 ºC)
- Decomposition
- 185 °C · 185°C
- BRN
- 3574984 · 3574984
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- Kosmetik-Inhaltsstoffe Funktionen
- ANTISTATIC
- InChI
- 1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
- InChIKey
- HTZCNXWZYVXIMZ-UHFFFAOYSA-M
- SMILES
- [Cl-].CC[N+](CC)(CC)Cc1ccccc1
- CAS Datenbank
- 56 · 56-37-1(CAS DataBase Reference)
- EPA chemische Informationen
- Benzyltriethylammonium chloride (56-37-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (3 of 375) of reports.
Warning
H302 (82.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 375 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1)
Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 06-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17283
Benzyltriethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (82.7%)
Skin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 3
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29239000
- RTECS-Nr.
- BO8400000
- risk_code
- 36/37/38-20/21/22
- Toxizität
- LD50 orally in Rabbit: 2219 mg/kg
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39-26 37/39-36/37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Selbstentzündungstemperatur
- 300 °C
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1): ACTIVE
Anwendungen
BeschreibungBenzyltrimethylammonium chloride is hygroscopic and soluble in water, ethanol, and butanol and slightly soluble in butyl phthalate and tributyl phosphate. It is widely used as a solvent for cellulose, a gelling inhibitor in polyester resins, a chemical intermediate, a paint dispersant, and an acrylic dyeing agent. It is also used in plant growth regulator compositions and synthetic processes.
VerwendenBenzyltriethylammonium chloride is used as a catalyst in the preparation of 2-phenylbutyronitrile from phenyl acetonitrile. It is involved in the Knoevenagel condensation of carbonyl compounds with active methylene compounds to give olefinic products. It acts as a phase transfer catalyst used in the alkylation reaction. It reacts with 1H-Pyridine-2-thione to get 2-Benzylsulfanyl-pyridine.
Darstellung
synthetischeBenzyltriethylammonium chloride synthesis: Add benzyl chloride, triethylamine and acetone into the reaction pot, and reflux at 63-64°C for 8 hours. Slowly lowered to 15°C, filtered, and the filter cake was washed with acetone and dried to obtain benzyltriethylammonium chloride. Yield 68.9%.
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